Geometry & MOs

Info

ID:	168415
PubChem CID:	74965413
Reduced:	OCl2N6C19H22 (1)
Stoich.:	AB2C6D19E22 (1)
Weight, g/mol:	360.227374
ΔH_f, kcal/mol:	-1.8
Dipole, Da:	5.19
IP(EA), eV:	-8.67(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(oxolan-2-ylmethylamino)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C2CC(=O)NC(N2)NC3=C(C=C(C=C3)Cl)Cl)N4CCCC4

DOS

IR

Vibrations